From bf35e0cdc30e2e7f8ec66e54ef71431b8377af53 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 14 Jan 2013 18:51:54 +0100
Subject: [PATCH] make gamma and dgamma inline functions for extra speed.

---
 src/kspace.cpp | 44 --------------------------------------------
 src/kspace.h   | 41 +++++++++++++++++++++++++++++++++++++++--
 2 files changed, 39 insertions(+), 46 deletions(-)

diff --git a/src/kspace.cpp b/src/kspace.cpp
index 9cbe1c71cd..3af581eeaa 100644
--- a/src/kspace.cpp
+++ b/src/kspace.cpp
@@ -241,50 +241,6 @@ double KSpace::estimate_table_accuracy(double q2_over_sqrt, double spr)
   return table_accuracy;
 }
 
-/* ----------------------------------------------------------------------
-   compute gamma for MSM and pair styles
-   see Eq 4 from Parallel Computing 35 (2009) 164–177
-------------------------------------------------------------------------- */
-
-double KSpace::gamma(const double &rho)
-{
-  if (rho <= 1) {
-    int split_order = order/2;
-    double g = gcons[split_order][0];
-    double rho2 = rho*rho;
-    double rho_n = rho2;
-    for (int n=1; n<=split_order; n++) {
-      g += gcons[split_order][n]*rho_n;
-      rho_n *= rho2;
-    }
-    return g;
-  }
-  else
-    return (1.0/rho);
-}
-
-/* ----------------------------------------------------------------------
-   compute the derivative of gamma for MSM and pair styles
-   see Eq 4 from Parallel Computing 35 (2009) 164-177
-------------------------------------------------------------------------- */
-
-double KSpace::dgamma(const double &rho)
-{
-  if (rho <= 1) {
-    int split_order = order/2;
-    double dg = dgcons[split_order][0]*rho;
-    double rho2 = rho*rho;
-    double rho_n = rho*rho2;
-    for (int n=1; n<split_order; n++) {
-      dg += dgcons[split_order][n]*rho_n;
-      rho_n *= rho2;
-    }
-    return dg;
-  }
-  else
-    return (-1.0/rho/rho);
-}
-
 /* ----------------------------------------------------------------------
    modify parameters of the KSpace style
 ------------------------------------------------------------------------- */
diff --git a/src/kspace.h b/src/kspace.h
index fe668271ff..ef7d3ec711 100644
--- a/src/kspace.h
+++ b/src/kspace.h
@@ -79,8 +79,45 @@ class KSpace : protected Pointers {
   virtual int timing_3d(int, double &) {return 0;}
   virtual double memory_usage() {return 0.0;}
 
-  double gamma(const double &);
-  double dgamma(const double &);
+/* ----------------------------------------------------------------------
+   compute gamma for MSM and pair styles
+   see Eq 4 from Parallel Computing 35 (2009) 164–177
+------------------------------------------------------------------------- */
+
+  double gamma(const double &rho) const {
+    if (rho <= 1.0) {
+      const int split_order = order/2;
+      const double rho2 = rho*rho;
+      double g = gcons[split_order][0];
+      double rho_n = rho2;
+      for (int n=1; n<=split_order; n++) {
+        g += gcons[split_order][n]*rho_n;
+        rho_n *= rho2;
+      }
+      return g;
+    } else
+      return (1.0/rho);
+  }
+
+/* ----------------------------------------------------------------------
+   compute the derivative of gamma for MSM and pair styles
+   see Eq 4 from Parallel Computing 35 (2009) 164-177
+------------------------------------------------------------------------- */
+
+  double dgamma(const double &rho) const {
+    if (rho <= 1.0) {
+      const int split_order = order/2;
+      const double rho2 = rho*rho;
+      double dg = dgcons[split_order][0]*rho;
+      double rho_n = rho*rho2;
+      for (int n=1; n<split_order; n++) {
+        dg += dgcons[split_order][n]*rho_n;
+        rho_n *= rho2;
+      }
+      return dg;
+    } else
+      return (-1.0/rho/rho);
+  }
 
  protected:
   int gridflag,gridflag_6;